4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C70H54N32O3S4 — CID 158358118

About 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine

4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 158358118) has the molecular formula C70H54N32O3S4 and a molecular weight of 1519.69 g/mol. Its IUPAC name is 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 158358118
• Molecular Formula: C70H54N32O3S4
• Molecular Weight: 1519.69 g/mol
• Exact Mass: 1518.39
• IUPAC Name: 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CSc1nccc(-n2ncc3c(N)ncnc32)n1.N#Cc1ccc(-n2ncc3c(N)ncnc32)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)Nc2ccsc2)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2cccs2)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2ccsc2)cc1
• InChI: InChI=1S/C16H13N7OS.2C16H12N6OS.C12H8N6.C10H9N7S/c17-14-13-7-20-23(15(13)19-9-18-14)12-3-1-10(2-4-12)21-16(24)22-11-5-6-25-8-11;17-14-13-7-20-22(15(13)19-9-18-14)12-3-1-11(2-4-12)21-16(23)10-5-6-24-8-10;17-14-12-8-20-22(15(12)19-9-18-14)11-5-3-10(4-6-11)21-16(23)13-2-1-7-24-13;13-5-8-1-3-9(4-2-8)18-12-10(6-17-18)11(14)15-7-16-12;1-18-10-12-3-2-7(16-10)17-9-6(4-15-17)8(11)13-5-14-9/h1-9H,(H2,17,18,19)(H2,21,22,24);2*1-9H,(H,21,23)(H2,17,18,19);1-4,6-7H,(H2,14,15,16);2-5H,1H3,(H2,11,13,14)
• InChIKey: GTDBLASDPIHKMF-UHFFFAOYSA-N
• XLogP: 10.71
• TPSA: 497.00 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 12
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1519.69
LogP ≤ 5	10.71
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 158358118) is 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CSc1nccc(-n2ncc3c(N)ncnc32)n1.N#Cc1ccc(-n2ncc3c(N)ncnc32)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)Nc2ccsc2)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2cccs2)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2ccsc2)cc1.

What is the InChIKey of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is GTDBLASDPIHKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7OS.2C16H12N6OS.C12H8N6.C10H9N7S/c17-14-13-7-20-23(15(13)19-9-18-14)12-3-1-10(2-4-12)21-16(24)22-11-5-6-25-8-11;17-14-13-7-20-22(15(13)19-9-18-14)12-3-1-11(2-4-12)21-16(23)10-5-6-24-8-10;17-14-12-8-20-22(15(12)19-9-18-14)11-5-3-10(4-6-11)21-16(23)13-2-1-7-24-13;13-5-8-1-3-9(4-2-8)18-12-10(6-17-18)11(14)15-7-16-12;1-18-10-12-3-2-7(16-10)17-9-6(4-15-17)8(11)13-5-14-9/h1-9H,(H2,17,18,19)(H2,21,22,24);2*1-9H,(H,21,23)(H2,17,18,19);1-4,6-7H,(H2,14,15,16);2-5H,1H3,(H2,11,13,14).

What are the key properties of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1519.69 g/mol, XLogP of 10.71, 12 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158358118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).